SCHEMBL4460725

SCHEMBL4460725

[CH2]CCCOCC(CC)OC(C)CC

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
SPHK1 Q9NYA1 1/20 0.31
USP2 O75604 1/20 0.31
PRKD3 O94806 1/20 0.30
PRKCG P05129 1/20 0.30
PRKCB P05771 1/20 0.30
PRKCA P17252 1/20 0.30
PRKCH P24723 1/20 0.30
PRKCI P41743 1/20 0.30
PRKCE Q02156 1/20 0.30
PRKCQ Q04759 1/20 0.30
PRKCZ Q05513 1/20 0.30
PRKCD Q05655 1/20 0.30
PRKD1 Q15139 1/20 0.30
HTT P42858 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1051069 0.79 PRKD3 (0.43) CYP3A4USP2PRKD3PRKCGPRKCB
SCHEMBL26117826 0.77 CYP3A4 (0.34) CYP3A4USP2PRKD3PRKCGPRKCB
SCHEMBL26118427 0.76 LPAR1 (0.42) CYP3A4USP2PRKD3PRKCGPRKCB
SCHEMBL7992659 0.75 SPHK2 (0.31) SPHK1
SCHEMBL17048888 0.74 HSD17B10 (0.33) CYP3A4SPHK1USP2HTT
SCHEMBL5114081 0.71
SCHEMBL6649647 0.71 CYP3A4 (0.47) CYP3A4USP2HTT
SCHEMBL19170 0.71
SCHEMBL5100818 0.71
SCHEMBL17103151 0.70 TSHR (0.33)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041232-A1 ADHESIVE MIXTURES HAVING POLYACRYLNITRILE Henkel AG & Co. KGaA (DE) 2009-04-01 EP disclosed
WO-2008006694-A1 ADHESIVE MIXTURES HAVING POLYACRYLNITRILE HENKEL AG & CO. KGAA (DE) 2008-01-17 WO disclosed